(4S)-4-ethyldecan-3-one

C12H24O — CID 134895926

IUPAC(4S)-4-ethyldecan-3-one
SMILESCCCCCC[C@H](CC)C(=O)CC
InChIInChI=1S/C12H24O/c1-4-7-8-9-10-11(5-2)12(13)6-3/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyMGPLHJZAGNNYCI-NSHDSACASA-N
MW184.32 g/mol
LogP3.96
Rot. Bonds8

About (4S)-4-ethyldecan-3-one

(4S)-4-ethyldecan-3-one (PubChem CID 134895926) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (4S)-4-ethyldecan-3-one.

Molecular Properties

Compound Name(4S)-4-ethyldecan-3-one
PubChem CID134895926
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(4S)-4-ethyldecan-3-one
SMILESCCCCCC[C@H](CC)C(=O)CC
InChIInChI=1S/C12H24O/c1-4-7-8-9-10-11(5-2)12(13)6-3/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyMGPLHJZAGNNYCI-NSHDSACASA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzene;pentakis(4-ethylheptadecan-3-one)
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2-ethyloctanoic acid;hexakis(hexane)
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(2R)-2-ethyldodecanoic acid
CID 98093060
5-ethylpentadecane-2,4-dione
CID 11715963
2-ethyldecanethioic S-acid
CID 20634435
4-ethyl-8-methylnonan-3-one
CID 141074737
5-ethylpentadecan-6-one
CID 114966402
azane;2-ethyldodecanamide
CID 174462460
lithium 2-ethyloctanoate
CID 155386691
potassium 2-ethyldodecanoate
CID 90238812

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyldecan-3-one?
The IUPAC name of (4S)-4-ethyldecan-3-one (CID 134895926) is (4S)-4-ethyldecan-3-one.
What is the SMILES notation for (4S)-4-ethyldecan-3-one?
The canonical SMILES for (4S)-4-ethyldecan-3-one is CCCCCC[C@H](CC)C(=O)CC.
What is the InChIKey of (4S)-4-ethyldecan-3-one?
The InChIKey is MGPLHJZAGNNYCI-NSHDSACASA-N. The full InChI is InChI=1S/C12H24O/c1-4-7-8-9-10-11(5-2)12(13)6-3/h11H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (4S)-4-ethyldecan-3-one?
(4S)-4-ethyldecan-3-one has a molecular weight of 184.32 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyldecan-3-one is sourced from PubChem (CID 134895926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).